3-(4-methylphenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-methylphenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-methylphenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0468 |
| Compound Name: | 3-(4-methylphenyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1C(NC2(CCN(CC2)S(Cc2ccccc2)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4689 |
| logD: | 2.4641 |
| logSw: | -2.7712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.195 |
| InChI Key: | AGUYBAOSBHOJDH-UHFFFAOYSA-N |